smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CCCCBr 13605068 717108455 /nfs/dbraw/zinc/10/84/55/717108455.db2.gz UNAVLJKZQUBDPH-UHFFFAOYSA-N 1 0 195.124 1.868 1 50 in-vivo ADGFRO